2-(4-ethylphenoxy)-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(4-ethylphenoxy)-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
2-(4-ethylphenoxy)-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D439-6659 |
| Compound Name: | 2-(4-ethylphenoxy)-N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCc1ccc(cc1)OCC(Nc1ccc(cc1)SCC1=CC(N2C(N=CN2C(C)C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7906 |
| logD: | 3.6219 |
| logSw: | -3.9244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.554 |
| InChI Key: | YBZCJCFNXUDDEZ-UHFFFAOYSA-N |